SCHEMBL21597915

SCHEMBL21597915

CCOC(=O)N1C2COCC1CC(N1CCC3(CC1)CC3)C2.CCOC(=O)N1C2COCC1CC(N1CCC3(CC1)CNC(=O)C3)C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
CHRM4 P08173 3/20 0.32
CHRM5 P08912 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM3 P20309 1/20 0.32
OGFRL1 Q5TC84 1/20 0.32
MAPK1 P28482 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22449310 0.98 CHRM1 (0.34) CHRM1CYP11B1CYP11B2CHRM4CHRM5
SCHEMBL20942447 0.88 CHRM1 (0.42) CHRM1CYP11B1CYP11B2CHRM4CHRM5
SCHEMBL17101289 0.88 CHRM1 (0.42) CHRM1CYP11B1CYP11B2CHRM4CHRM5
SCHEMBL29859951 0.88 CHRM1 (0.42) CHRM1CYP11B1CYP11B2CHRM4CHRM5
SCHEMBL20942069 0.88 CHRM1 (0.42) CHRM1CYP11B1CYP11B2CHRM4CHRM5
SCHEMBL22449304 0.87 CYP11B1 (0.33) CYP11B1CYP11B2
SCHEMBL22449320 0.87 CHRM1 (0.40) CHRM1CHRM4CHRM5CHRM2MAPK1
SCHEMBL17101370 0.86 CHRM1 (0.40) CHRM1CHRM4CHRM5CHRM2CHRM3
SCHEMBL17101337 0.84 CHRM1 (0.43) CHRM1CYP11B1CYP11B2CHRM4CHRM5
SCHEMBL22472870 0.84 CYP11B1 (0.35) CHRM1CYP11B1CYP11B2CHRM4CHRM5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810614-A1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR Heptares Therapeutics Limited (GB) 2021-04-28 EP claimed
WO-2019243851-A1 BRIDGED COMPOUNDS AS AGONISTS OF THE MUSCARINIC M1 AND/OR M4 RECEPTOR HEPTARES THERAPEUTICS LIMITED (GB) 2019-12-26 WO claimed